==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-MAR-09 3GSI . COMPND 2 MOLECULE: N,N-DIMETHYLGLYCINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER GLOBIFORMIS; . AUTHOR T.TRALAU,P.LAFITE,C.LEVY,J.P.COMBE,N.S.SCRUTTON,D.LEYS . 827 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 575 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 20.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 62 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 1 1 0 1 2 0 1 3 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 5 3 7 4 5 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A T 0 0 92 0, 0.0 3,-0.1 0, 0.0 373,-0.0 0.000 360.0 360.0 360.0 152.0 23.6 58.0 29.5 2 5 A P - 0 0 42 0, 0.0 2,-0.5 0, 0.0 25,-0.3 -0.112 360.0-101.5 -60.0 153.3 21.9 59.7 32.6 3 6 A R - 0 0 105 23,-0.1 191,-2.6 25,-0.1 192,-2.2 -0.650 45.0-165.7 -74.2 123.6 18.2 60.5 32.8 4 7 A I E -ab 28 195A 2 23,-2.6 25,-2.3 -2,-0.5 2,-0.5 -0.915 15.4-166.4-116.2 134.7 17.7 64.2 32.0 5 8 A V E -ab 29 196A 2 190,-2.6 192,-2.4 -2,-0.4 2,-0.5 -0.990 8.1-160.8-113.8 129.4 14.7 66.4 32.6 6 9 A I E -ab 30 197A 0 23,-3.1 25,-2.8 -2,-0.5 2,-0.8 -0.926 8.2-148.9-105.8 125.9 14.6 69.8 30.9 7 10 A I E +ab 31 198A 11 190,-2.4 192,-2.2 -2,-0.5 25,-0.2 -0.853 67.9 29.7 -94.2 109.6 12.2 72.3 32.3 8 11 A G - 0 0 8 23,-3.1 24,-0.2 -2,-0.8 23,-0.1 0.242 56.9-143.8 116.1 125.6 11.0 74.6 29.5 9 12 A A + 0 0 1 4,-0.1 -1,-0.1 21,-0.1 32,-0.1 -0.326 59.3 123.9-112.4 49.2 10.4 74.1 25.8 10 13 A G S > S- 0 0 21 189,-0.5 4,-2.2 29,-0.1 5,-0.3 -0.150 87.7 -77.1 -82.1-169.7 11.5 77.6 24.8 11 14 A I H > S+ 0 0 4 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.816 133.9 50.3 -62.6 -29.1 14.3 78.2 22.3 12 15 A V H > S+ 0 0 15 2,-0.2 4,-2.0 187,-0.1 -1,-0.2 0.977 111.1 43.4 -72.9 -55.2 16.8 77.4 25.0 13 16 A G H > S+ 0 0 0 186,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.847 116.2 47.3 -62.1 -37.3 15.4 74.0 26.3 14 17 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.875 111.3 50.8 -75.6 -36.1 14.7 72.6 22.8 15 18 A N H X S+ 0 0 0 -4,-1.0 4,-2.6 -5,-0.3 -2,-0.2 0.875 110.1 51.2 -64.0 -34.8 18.1 73.6 21.5 16 19 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.940 107.5 50.7 -68.3 -49.0 19.7 71.9 24.5 17 20 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.949 114.2 47.9 -51.0 -47.8 17.7 68.6 23.9 18 21 A D H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 110.0 48.6 -58.3 -49.2 19.0 68.8 20.3 19 22 A E H < S+ 0 0 4 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.819 114.2 48.4 -65.0 -31.0 22.6 69.5 21.3 20 23 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-1.3 0.929 108.7 52.9 -72.6 -49.7 22.5 66.6 23.7 21 24 A V H ><5S+ 0 0 28 -4,-3.0 3,-2.3 1,-0.3 -2,-0.2 0.918 105.6 53.2 -50.3 -48.6 20.9 64.2 21.2 22 25 A T T 3<5S+ 0 0 91 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.693 108.2 52.9 -66.4 -14.3 23.7 64.9 18.7 23 26 A R T < 5S- 0 0 83 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.326 127.4-100.2-100.3 6.8 26.1 64.0 21.4 24 27 A G T < 5S+ 0 0 49 -3,-2.3 2,-0.8 1,-0.2 -3,-0.2 0.523 86.9 121.2 91.8 5.2 24.4 60.7 22.0 25 28 A W < + 0 0 38 -5,-2.3 -2,-0.2 1,-0.1 -1,-0.2 -0.887 18.8 145.1-100.5 102.3 22.4 61.6 25.1 26 29 A N + 0 0 73 -2,-0.8 2,-2.2 -5,-0.1 -1,-0.1 0.300 33.7 107.2-119.9 8.7 18.7 61.0 24.2 27 30 A N + 0 0 78 -25,-0.3 -23,-2.6 136,-0.1 2,-0.4 -0.430 59.5 137.5 -80.2 65.8 17.3 59.8 27.6 28 31 A I E -a 4 0A 2 -2,-2.2 136,-2.8 -25,-0.2 2,-0.4 -0.925 43.0-167.6-126.4 134.4 15.6 63.2 27.9 29 32 A T E -ac 5 164A 23 -25,-2.3 -23,-3.1 -2,-0.4 2,-0.5 -0.993 11.5-159.5-115.2 126.2 12.2 64.5 28.9 30 33 A V E -ac 6 165A 0 134,-3.2 136,-3.0 -2,-0.4 2,-0.4 -0.942 11.2-164.3-103.5 126.5 11.2 68.1 28.1 31 34 A L E +ac 7 166A 1 -25,-2.8 -23,-3.1 -2,-0.5 2,-0.3 -0.858 12.8 171.3-111.4 143.0 8.4 69.6 30.2 32 35 A D - 0 0 23 134,-2.0 137,-2.8 -2,-0.4 138,-0.1 -0.943 32.2-146.7-151.4 134.9 6.4 72.7 29.6 33 36 A Q S S+ 0 0 72 -2,-0.3 137,-0.2 135,-0.3 134,-0.1 0.679 87.5 69.9 -68.1 -21.3 3.3 74.0 31.3 34 37 A G S S- 0 0 6 135,-0.2 134,-2.5 1,-0.1 135,-0.4 -0.380 102.0 -82.0 -89.6 173.8 2.2 75.4 28.0 35 38 A P > - 0 0 12 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.549 36.3-124.1 -75.8 146.6 1.0 73.5 24.9 36 39 A L T 3 S+ 0 0 44 1,-0.3 119,-0.1 -2,-0.2 -2,-0.0 0.781 107.6 59.4 -61.3 -30.6 3.8 72.1 22.7 37 40 A N T 3 S+ 0 0 117 1,-0.3 -1,-0.3 2,-0.1 115,-0.1 0.685 131.6 3.0 -75.5 -17.9 2.5 73.9 19.5 38 41 A M S < S- 0 0 60 -3,-1.3 -1,-0.3 1,-0.0 -2,-0.1 -0.440 70.2-171.3-160.4 82.3 2.9 77.3 21.2 39 42 A P - 0 0 13 0, 0.0 -29,-0.1 0, 0.0 -2,-0.1 0.842 30.3-133.5 -60.9 -34.3 4.4 77.1 24.6 40 43 A G + 0 0 1 1,-0.2 256,-1.6 -6,-0.1 257,-0.2 0.555 59.3 122.3 102.3 4.7 3.8 80.7 25.5 41 44 A G S > S- 0 0 18 254,-0.1 3,-1.4 255,-0.1 4,-0.3 -0.141 87.1 -73.1 -78.0-174.4 7.1 81.9 27.1 42 45 A S G >> S+ 0 0 27 1,-0.3 3,-2.1 2,-0.2 4,-1.1 0.823 130.3 67.3 -54.1 -32.5 9.2 84.8 25.7 43 46 A T G >4 S+ 0 0 20 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.891 91.9 62.6 -57.9 -34.1 10.2 82.6 22.7 44 47 A S G <4 S+ 0 0 19 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.523 115.0 29.6 -70.9 -6.9 6.6 82.7 21.6 45 48 A H G <4 S+ 0 0 26 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.439 84.3 124.1-126.6 0.7 6.6 86.5 21.1 46 49 A A << - 0 0 36 -4,-1.1 101,-0.3 -3,-0.6 102,-0.2 -0.441 53.7-145.4 -71.6 135.2 10.2 87.5 20.2 47 50 A P - 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.653 37.8-130.1 -70.7 -17.6 10.7 89.4 16.9 48 51 A G + 0 0 4 1,-0.2 97,-3.2 96,-0.1 2,-0.3 0.752 39.3 171.0 83.2 22.4 14.0 87.5 16.5 49 52 A L E -G 144 0B 21 95,-0.2 2,-0.6 93,-0.0 311,-0.3 -0.548 14.3-163.2 -71.6 130.8 16.6 90.2 15.7 50 53 A V E +G 143 0B 0 93,-2.5 93,-1.5 -2,-0.3 2,-0.6 -0.928 15.5 172.5-122.9 102.2 20.1 88.8 15.8 51 54 A F - 0 0 11 -2,-0.6 12,-0.0 91,-0.2 -2,-0.0 -0.965 10.5-169.8-106.3 115.5 23.0 91.2 16.0 52 55 A Q + 0 0 7 -2,-0.6 11,-0.2 11,-0.1 12,-0.2 0.818 53.4 97.3 -77.1 -33.8 26.2 89.1 16.5 53 56 A T + 0 0 10 10,-0.1 -2,-0.1 2,-0.1 50,-0.1 -0.363 47.8 153.2 -69.2 138.2 28.7 91.9 17.4 54 57 A N - 0 0 39 48,-0.1 6,-0.1 2,-0.0 55,-0.1 -0.975 55.7-118.0-161.9 145.3 29.2 92.2 21.1 55 58 A P S S+ 0 0 56 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.747 97.6 81.1 -64.3 -21.3 32.0 93.3 23.5 56 59 A S > - 0 0 29 1,-0.2 4,-2.6 2,-0.0 5,-0.2 -0.786 69.0-154.6 -90.3 119.1 32.1 89.8 24.9 57 60 A K H > S+ 0 0 73 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.904 97.7 49.4 -52.2 -45.7 34.0 87.2 22.9 58 61 A T H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 111.6 46.5 -63.7 -45.5 31.8 84.4 24.3 59 62 A M H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 111.7 53.1 -65.4 -37.8 28.5 86.1 23.6 60 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.903 109.1 48.2 -62.7 -41.6 29.7 86.9 20.1 61 64 A S H X S+ 0 0 42 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.903 109.0 53.6 -67.3 -36.0 30.6 83.2 19.5 62 65 A F H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 302,-0.6 0.869 110.7 47.9 -60.6 -37.6 27.2 82.1 20.9 63 66 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -11,-0.2 -2,-0.2 0.904 109.3 51.1 -72.9 -44.2 25.6 84.5 18.4 64 67 A K H X S+ 0 0 83 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.893 112.4 48.3 -56.8 -41.8 27.6 83.3 15.4 65 68 A Y H X S+ 0 0 50 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.890 108.7 52.6 -68.5 -39.8 26.7 79.7 16.2 66 69 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 294,-0.3 5,-0.2 0.906 109.8 49.9 -60.8 -40.2 23.0 80.5 16.6 67 70 A V H X S+ 0 0 7 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.959 113.9 44.8 -64.4 -48.0 23.1 82.1 13.1 68 71 A E H X S+ 0 0 128 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.925 115.5 47.7 -62.3 -42.9 24.8 79.1 11.6 69 72 A K H X S+ 0 0 7 -4,-3.1 4,-0.6 1,-0.2 3,-0.4 0.934 111.7 48.2 -68.0 -42.7 22.5 76.7 13.4 70 73 A L H < S+ 0 0 3 -4,-2.9 10,-2.2 1,-0.2 3,-0.5 0.839 107.8 55.8 -69.5 -29.9 19.3 78.5 12.4 71 74 A L H < S+ 0 0 64 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.827 110.7 45.3 -67.1 -31.8 20.3 78.7 8.8 72 75 A S H < S+ 0 0 75 -4,-1.3 2,-0.9 -3,-0.4 -1,-0.2 0.488 90.4 92.8 -89.1 -6.2 20.7 75.0 8.7 73 76 A L < + 0 0 3 -4,-0.6 7,-0.7 -3,-0.5 2,-0.3 -0.793 63.5 154.0 -93.9 104.4 17.5 74.3 10.5 74 77 A T E +I 79 0C 78 -2,-0.9 2,-0.3 5,-0.2 5,-0.2 -0.883 30.5 178.7-141.4 153.6 15.1 73.9 7.5 75 78 A E E > S+I 78 0C 63 3,-1.4 3,-2.2 -2,-0.3 -2,-0.0 -0.947 78.7 4.1-157.4 139.9 11.9 72.3 6.3 76 79 A D T 3 S- 0 0 151 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.844 130.6 -61.3 50.1 35.3 10.1 72.4 3.0 77 80 A G T 3 S+ 0 0 75 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.560 114.2 111.8 75.0 6.5 13.1 74.5 1.8 78 81 A V E < -I 75 0C 88 -3,-2.2 -3,-1.4 2,-0.0 -1,-0.2 -0.965 52.2-156.0-117.1 117.8 12.6 77.3 4.3 79 82 A S E -I 74 0C 30 -2,-0.5 -5,-0.2 -5,-0.2 -8,-0.2 -0.018 27.4-111.4 -76.4-175.9 15.3 77.7 7.0 80 83 A C S S+ 0 0 0 -10,-2.2 66,-2.7 -7,-0.7 2,-0.4 0.155 95.3 70.0-105.8 17.8 14.8 79.4 10.4 81 84 A F E -H 145 0B 9 -11,-0.3 2,-0.8 64,-0.2 64,-0.2 -0.985 58.4-163.1-137.9 125.9 17.1 82.4 9.6 82 85 A N E -H 144 0B 64 62,-2.9 62,-2.6 -2,-0.4 2,-2.1 -0.901 17.4-153.9-107.2 102.3 16.4 85.2 7.2 83 86 A Q + 0 0 83 -2,-0.8 60,-0.2 60,-0.2 59,-0.1 -0.420 39.7 144.8 -85.9 70.0 19.9 86.7 6.7 84 87 A V - 0 0 24 -2,-2.1 59,-0.2 1,-0.2 -1,-0.2 0.497 58.2-121.3 -81.7 -3.5 19.0 90.3 5.7 85 88 A G - 0 0 0 57,-2.4 162,-2.2 -3,-0.2 2,-0.3 -0.202 24.3-100.8 83.9 174.3 22.0 91.7 7.5 86 89 A G E -Jk 139 247D 1 53,-1.9 53,-2.3 160,-0.3 2,-0.4 -0.981 25.1-164.0-139.2 149.7 21.9 94.2 10.3 87 90 A L E -Jk 138 248D 0 160,-2.5 162,-2.6 -2,-0.3 2,-0.5 -0.989 3.2-166.7-138.0 124.0 22.5 98.0 10.4 88 91 A E E -Jk 137 249D 8 49,-2.2 49,-2.3 -2,-0.4 2,-0.3 -0.953 17.9-157.2-106.5 127.4 23.2 100.1 13.5 89 92 A V E -J 136 0D 2 160,-2.3 162,-0.5 -2,-0.5 2,-0.4 -0.807 5.0-144.9-106.0 154.1 22.9 103.8 12.8 90 93 A A E +J 135 0D 0 45,-2.8 44,-3.6 -2,-0.3 45,-0.8 -0.952 20.6 172.4-115.9 129.7 24.4 106.8 14.7 91 94 A T S S+ 0 0 33 -2,-0.4 2,-0.3 42,-0.2 -1,-0.1 0.371 70.7 52.6-113.0 1.7 22.7 110.1 15.2 92 95 A T S > S- 0 0 55 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.948 82.9-120.9-131.2 155.5 25.2 111.5 17.6 93 96 A E H > S+ 0 0 160 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.835 114.0 58.9 -59.4 -32.7 29.0 111.9 17.5 94 97 A T H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 108.1 44.1 -65.6 -42.5 29.2 109.8 20.6 95 98 A R H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 109.2 57.0 -70.2 -37.1 27.5 106.9 18.9 96 99 A L H X S+ 0 0 53 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.925 107.9 47.6 -60.4 -45.5 29.5 107.3 15.7 97 100 A A H >X S+ 0 0 41 -4,-2.3 4,-1.2 1,-0.2 3,-0.7 0.934 109.7 54.0 -59.6 -42.6 32.7 106.9 17.7 98 101 A D H 3X S+ 0 0 9 -4,-1.8 4,-2.6 1,-0.3 -2,-0.2 0.844 100.1 59.9 -65.3 -30.8 31.2 103.9 19.5 99 102 A L H 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.835 101.7 55.2 -66.0 -30.9 30.4 102.1 16.2 100 103 A K H S+ 0 0 1 -4,-2.3 5,-3.5 1,-0.2 4,-0.6 0.944 111.8 42.7 -57.8 -49.2 33.6 92.4 15.0 107 110 A A H ><5S+ 0 0 33 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.929 113.3 54.0 -62.3 -42.0 37.2 92.0 13.7 108 111 A A H 3<5S+ 0 0 18 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.880 115.5 38.7 -60.2 -36.2 38.3 90.7 17.0 109 112 A W H 3<5S- 0 0 25 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.333 117.8-105.1-100.8 8.0 35.6 88.0 17.0 110 113 A G T <<5S+ 0 0 52 -3,-1.1 2,-0.5 -4,-0.6 -3,-0.2 0.828 72.1 140.1 74.7 33.2 35.7 87.1 13.3 111 114 A I < - 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